1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine

C20H33N3O2 — CID 112539822

IUPAC1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine
SMILESCOc1ccc(C(CN2CCC(C)CC2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C20H33N3O2/c1-16-6-10-22(11-7-16)15-19(23-12-8-21-9-13-23)18-5-4-17(24-2)14-20(18)25-3/h4-5,14,16,19,21H,6-13,15H2,1-3H3
InChIKeyCGGXHMTXBOCJHD-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.38
Rot. Bonds6

About 1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine

1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine (PubChem CID 112539822) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine
PubChem CID112539822
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine
SMILESCOc1ccc(C(CN2CCC(C)CC2)N2CCNCC2)c(OC)c1
InChIInChI=1S/C20H33N3O2/c1-16-6-10-22(11-7-16)15-19(23-12-8-21-9-13-23)18-5-4-17(24-2)14-20(18)25-3/h4-5,14,16,19,21H,6-13,15H2,1-3H3
InChIKeyCGGXHMTXBOCJHD-UHFFFAOYSA-N
XLogP2.38
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R)-1-(2,4-dimethoxyphenyl)-2-fluoroethyl]piperazine;dihydrochloride
CID 171274756
1-[(1S)-1-(2,4-dimethoxyphenyl)-3-methylbutyl]piperazine
CID 95493723
1-[1-(2,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-2-methylpiperazine
CID 112539814
1-[(1S)-1-(2,4-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171163322
(3S)-3-(2,4-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305890
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
1-[(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171284340
1-[(S)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171274767
1-[(1S)-1-(2,4-dimethoxyphenyl)-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171287381
1-[(1S)-3,3,3-trifluoro-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propyl]piperazine;hydrochloride
CID 171168021
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
CID 171309939

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine?
The IUPAC name of 1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine (CID 112539822) is 1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine is COc1ccc(C(CN2CCC(C)CC2)N2CCNCC2)c(OC)c1.
What is the InChIKey of 1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine?
The InChIKey is CGGXHMTXBOCJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16-6-10-22(11-7-16)15-19(23-12-8-21-9-13-23)18-5-4-17(24-2)14-20(18)25-3/h4-5,14,16,19,21H,6-13,15H2,1-3H3.
What are the key properties of 1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine?
1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine has a molecular weight of 347.50 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 112539822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).